SCHEMBL8566712

SCHEMBL8566712

Nc1c(Cc2ccccc2)ccnc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.38
MGMT P16455 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7116983 0.80 KMT2A (0.50) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL1699178 0.79 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL8568481 0.79 HTT (0.50) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL8565247 0.78 ALDH1A1 (0.41) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL8563396 0.77 CES2 (0.39) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL8566190 0.77 KMT2A (0.58) CYP19A1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL8565267 0.75 MEN1 (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8562887 0.75 BACE1 (0.52) MEN1KMT2AMAPTHTTKDM4E
SCHEMBL7499087 0.75 LTA4H (0.43)
SCHEMBL8568534 0.75 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2MAPTHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed